1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol

C17H19NO2 — CID 107682735

IUPAC1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc(NC2CCc3cc(O)ccc32)c(C)cc1O
InChIInChI=1S/C17H19NO2/c1-10-8-17(20)11(2)7-16(10)18-15-6-3-12-9-13(19)4-5-14(12)15/h4-5,7-9,15,18-20H,3,6H2,1-2H3
InChIKeyKTONDKNJYBRXDL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.81
Rot. Bonds2

About 1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol

1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682735) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682735
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc(NC2CCc3cc(O)ccc32)c(C)cc1O
InChIInChI=1S/C17H19NO2/c1-10-8-17(20)11(2)7-16(10)18-15-6-3-12-9-13(19)4-5-14(12)15/h4-5,7-9,15,18-20H,3,6H2,1-2H3
InChIKeyKTONDKNJYBRXDL-UHFFFAOYSA-N
XLogP3.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol (CID 107682735) is 1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol is Cc1cc(NC2CCc3cc(O)ccc32)c(C)cc1O.
What is the InChIKey of 1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is KTONDKNJYBRXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10-8-17(20)11(2)7-16(10)18-15-6-3-12-9-13(19)4-5-14(12)15/h4-5,7-9,15,18-20H,3,6H2,1-2H3.
What are the key properties of 1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol?
1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 269.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).